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Title: Three-dimensional framework of uranium-centered polyhedra with non-intersecting channels in the uranyl oxy-vanadates A{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O (A=Li, Na)

Abstract

The uranyl vanadates A{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O (A=Li, Na) have been synthesized by solid-state reaction and the structure of the Li compound was solved from single-crystal X-ray diffraction. The crystal structure is built from {sub {infinity}}{sup 1}[UO{sub 5}]{sup 4{sup -}} chains of edge-shared U(2)O{sub 7} pentagonal bipyramids alternatively parallel to a-vector- and b-vector-axis and further connected together to form a three-dimensional (3-D) arrangement. The perpendicular chains are hung on both sides of a sheet {sub {infinity}}{sup 2}[(UO{sub 2})(VO{sub 4}){sub 2}]{sup 4-} parallel to (001), formed by U(1)O{sub 6} square bipyramids connected by VO{sub 4} tetrahedra, and derived from the autunite-type sheet. The resulting 3-D framework creates non-intersecting channels running down the a-vector- and b-vector-axis formed by empty face-shared oxygen octahedra, the Li{sup +} ions are displaced from the center of the channels and occupy the middle of one edge of the common face. The peculiar position of the Li{sup +} ion together with the full occupancy explain the low conductivity of Li{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O compared with that of Na(UO{sub 2}){sub 4}(VO{sub 4}){sub 3} containing the same type of channels half occupied by Na{sup +} ions in the octahedral sites. Crystallographic data for Li{sub 2}(UO{sub 2}){submore » 3}(VO{sub 4}){sub 2}O: tetragonal, space group I41/amd, a=7.3303(5)A, c=24.653(3)A, V=1324.7(2)A{sup 3}, Z=4, {rho}{sub mes}=5.32(2)g/cm{sup 3}, {rho}{sub cal}=5.36(3)g/cm{sup 3}, full-matrix least-squares refinement basis on F{sup 2} yielded, R{sub 1}=0.032, wR{sub 2}=0.085 for 37 refined parameters with 364 independent reflections with I>=2{sigma}(I)« less

Authors:
 [1];  [2];  [2];  [2]
  1. Unite de Catalyse et de Chimie du Solide, UCCS UMR CNRS 8181, ENSCL-USTL, B.P. 90108, 59652 Villeneuve d'Ascq Cedex (France), E-mail: said.obbade@ensc-lille.fr
  2. Unite de Catalyse et de Chimie du Solide, UCCS UMR CNRS 8181, ENSCL-USTL, B.P. 90108, 59652 Villeneuve d'Ascq Cedex (France)
Publication Date:
OSTI Identifier:
21015723
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 180; Journal Issue: 3; Other Information: DOI: 10.1016/j.jssc.2006.12.014; PII: S0022-4596(06)00647-5; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CRYSTALLOGRAPHY; LEAST SQUARE FIT; LITHIUM COMPOUNDS; LITHIUM IONS; MONOCRYSTALS; SODIUM COMPOUNDS; SODIUM IONS; SPACE GROUPS; SYNTHESIS; TETRAGONAL LATTICES; URANYL COMPOUNDS; VANADATES; X-RAY DIFFRACTION

Citation Formats

Obbade, S., Duvieubourg, L., Dion, C., and Abraham, F. Three-dimensional framework of uranium-centered polyhedra with non-intersecting channels in the uranyl oxy-vanadates A{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O (A=Li, Na). United States: N. p., 2007. Web. doi:10.1016/j.jssc.2006.12.014.
Obbade, S., Duvieubourg, L., Dion, C., & Abraham, F. Three-dimensional framework of uranium-centered polyhedra with non-intersecting channels in the uranyl oxy-vanadates A{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O (A=Li, Na). United States. doi:10.1016/j.jssc.2006.12.014.
Obbade, S., Duvieubourg, L., Dion, C., and Abraham, F. Thu . "Three-dimensional framework of uranium-centered polyhedra with non-intersecting channels in the uranyl oxy-vanadates A{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O (A=Li, Na)". United States. doi:10.1016/j.jssc.2006.12.014.
@article{osti_21015723,
title = {Three-dimensional framework of uranium-centered polyhedra with non-intersecting channels in the uranyl oxy-vanadates A{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O (A=Li, Na)},
author = {Obbade, S. and Duvieubourg, L. and Dion, C. and Abraham, F.},
abstractNote = {The uranyl vanadates A{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O (A=Li, Na) have been synthesized by solid-state reaction and the structure of the Li compound was solved from single-crystal X-ray diffraction. The crystal structure is built from {sub {infinity}}{sup 1}[UO{sub 5}]{sup 4{sup -}} chains of edge-shared U(2)O{sub 7} pentagonal bipyramids alternatively parallel to a-vector- and b-vector-axis and further connected together to form a three-dimensional (3-D) arrangement. The perpendicular chains are hung on both sides of a sheet {sub {infinity}}{sup 2}[(UO{sub 2})(VO{sub 4}){sub 2}]{sup 4-} parallel to (001), formed by U(1)O{sub 6} square bipyramids connected by VO{sub 4} tetrahedra, and derived from the autunite-type sheet. The resulting 3-D framework creates non-intersecting channels running down the a-vector- and b-vector-axis formed by empty face-shared oxygen octahedra, the Li{sup +} ions are displaced from the center of the channels and occupy the middle of one edge of the common face. The peculiar position of the Li{sup +} ion together with the full occupancy explain the low conductivity of Li{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O compared with that of Na(UO{sub 2}){sub 4}(VO{sub 4}){sub 3} containing the same type of channels half occupied by Na{sup +} ions in the octahedral sites. Crystallographic data for Li{sub 2}(UO{sub 2}){sub 3}(VO{sub 4}){sub 2}O: tetragonal, space group I41/amd, a=7.3303(5)A, c=24.653(3)A, V=1324.7(2)A{sup 3}, Z=4, {rho}{sub mes}=5.32(2)g/cm{sup 3}, {rho}{sub cal}=5.36(3)g/cm{sup 3}, full-matrix least-squares refinement basis on F{sup 2} yielded, R{sub 1}=0.032, wR{sub 2}=0.085 for 37 refined parameters with 364 independent reflections with I>=2{sigma}(I)},
doi = {10.1016/j.jssc.2006.12.014},
journal = {Journal of Solid State Chemistry},
number = 3,
volume = 180,
place = {United States},
year = {Thu Mar 15 00:00:00 EDT 2007},
month = {Thu Mar 15 00:00:00 EDT 2007}
}